Discovery of high thermoelectric performance of WS2-WSe2 nanoribbons with superlattice and Janus structures

Han, Di; Wang, Man; Yang, Xiaoheng; Du, Mingliang; Cheng, Lin; Wang, Xinyu

doi:10.1016/j.jallcom.2022.163850

Cited by 8 publications

(2 citation statements)

References 54 publications

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“…Figure b demonstrates the integral of Figure a, which represents the total number of phonons with frequencies below a particular frequency. Among the phonons of different frequencies, phonons with frequencies lower than 8 THz are considered to play the most important role in the lattice thermal conductivity. , The number of phonons with frequencies lower than 8 THz of ZnCa 3 O 4 is about 40% more than that of Ca 4 O 4 . It indicates that phonons in ZnCa 3 O 4 have a longer l than those in Ca 4 O 4 , which is positively correlated with the lattice thermal conductivity.…”

Section: Resultsmentioning

confidence: 99%

DFT Study of the Cooperative Promotion of MgO and ZnO on CaCO₃/CaO Thermochemical Heat Storage Performance of CaO

Zhang,

Li,

Fang

et al. 2023

Energy Fuels

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CaCO3/CaO thermochemical heat storage is one of the most prospective schemes for large-scale heat storage in the next-generation concentrated solar power plants. MgO and ZnO can cooperatively enhance the heat storage performance of CaO. However, the underlying mechanism for the cooperative promotion of MgO and ZnO on the heat storage performance of CaO remains unidentified. In this work, density functional theory (DFT) calculations were applied to analyze the role of MgO and ZnO in CaCO3/CaO heat storage processes. The thermodynamic properties, structural evolution, and exothermic reactivity of CaO-based materials were studied by DFT. Because of the influence of ZnO on Ca–O bonds, ZnCa3O4 has a lower binding energy than Ca4O4. ZnO enlarges the lattice heat capacity and the phonons average velocity of CaO, thus improving the thermal conductivity. The sintering resistance of M-C is mainly due to the strong interaction of Mgs–Oc, but the interaction of Cac–Os is weak. With the doping of ZnO, the strength of Cac–Os is improved, resulting in a stronger sintering resistance of M-ZC. The exothermic reactivity of CaO is simultaneously affected by the interactions between C and O in CaO and between Ca and O in CO2. MgO–ZnO codoping facilitates the interactions between Ca and O but harms the interactions between C and O. With their combined influence, the Hirshfeld charge transfer of M-ZC for CO2 is −0.5 e, which is 1.39 times that of CaO. Besides, MgO–ZnO-codoped CaO was prepared by the wet-mixing method and had heat storage tests. The experimental results support the result obtained by the DFT calculation. Therefore, the probable mechanism of the cooperative promotion on the CaCO3/CaO heat storage process of CaO resulting from MgO–ZnO codoping was determined.

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Section: Resultsmentioning

confidence: 99%

DFT Study of the Cooperative Promotion of MgO and ZnO on CaCO₃/CaO Thermochemical Heat Storage Performance of CaO

Zhang,

Li,

Fang

et al. 2023

Energy Fuels

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“…Furthermore, intrinsic WSe 2 is a semiconductor (p-type) with very large S values. As a result, WSe 2 is a potentially good candidate for TE applications. − The TE efficiency of WSe 2 was measured by Liu et al at various spark plasma sintering (SPS) temperatures, and it compared TE performance in parallel and perpendicular directions to the direction of pressing ( ZT , ∼0.03 at 900 K) . Kriener et al found a relatively large PF value and obtained large ZT ∼ 0.35 at 850 K in a W 1– x Ta x Se 1.6 Te 0.4 composite .…”

Section: Introductionmentioning

confidence: 99%

Low Thermal Conductivity and High Thermoelectric Performance of Nb-Doped Quarternary Mixed Crystal Nb_0.05W_0.95-xMo_x(Se_1–xS_x)₂

Danish,

Muhammad,

Chen

et al. 2024

ACS Appl. Mater. Interfaces

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Transition-metal dichalcogenide WSe 2 has attracted increasing interest due to its large thermopower (S), low-cost, and environment-friendly constituents. However, its thermoelectric figure of merit, ZT, of WSe 2 is limited due to its large lattice thermal conductivity (κ L ) and low electrical conductivity. In view of WSe 2 and MoS 2 having the same crystal structure, here we designed and prepared Nb-doped quarternary mixed crystal (MC) Nb 0.05 W 0.95−x Mo x (Se 1−x S x ) 2 (0 ≤ x ≤ 0.095). The results indicate that the κ L of the MC can reach as low as 0.12 W m K −1 at 850 K, being 93% smaller than that of WSe 2 . Our analysis reveals that its low κ L originates chiefly from intense scattering of both highfrequency phonons from point defects (mainly alloying elements) and mid/low-frequency phonons from MoS 2 inclusions residual within MC. In addition, the alloying of WSe 2 with MoS 2 causes a 5-fold increase in cation vacancies (V W ‴′), leading to a large increase in hole concentration and electrical conductivity, which gives rise to a ∼7.5 times increase in power factor (reaching 4.2 μ W cm −1 K −2 at 850 K). As a result, a record high ZT max = 0.63 is achieved at 850 K for the MC sample with x = 0.076, which is 20 times larger than that of WSe 2 , demonstrating that MC Nb 0.05 W 0.95−x Mo x (Se 1−x S x ) 2 is a promising thermoelectric material.

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Polarization-sensitive near-infrared photodetectors based on quasi-one-dimensional Sb2Se3 nanotubes

Zhang

Wang

Pan

et al. 2023

Journal of Alloys and Compounds

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Discovery of high thermoelectric performance of WS2-WSe2 nanoribbons with superlattice and Janus structures

Cited by 8 publications

References 54 publications

DFT Study of the Cooperative Promotion of MgO and ZnO on CaCO₃/CaO Thermochemical Heat Storage Performance of CaO

DFT Study of the Cooperative Promotion of MgO and ZnO on CaCO₃/CaO Thermochemical Heat Storage Performance of CaO

Low Thermal Conductivity and High Thermoelectric Performance of Nb-Doped Quarternary Mixed Crystal Nb_0.05W_0.95-xMo_x(Se_1–xS_x)₂

Polarization-sensitive near-infrared photodetectors based on quasi-one-dimensional Sb2Se3 nanotubes

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Discovery of high thermoelectric performance of WS2-WSe2 nanoribbons with superlattice and Janus structures

Cited by 8 publications

References 54 publications

DFT Study of the Cooperative Promotion of MgO and ZnO on CaCO3/CaO Thermochemical Heat Storage Performance of CaO

DFT Study of the Cooperative Promotion of MgO and ZnO on CaCO3/CaO Thermochemical Heat Storage Performance of CaO

Low Thermal Conductivity and High Thermoelectric Performance of Nb-Doped Quarternary Mixed Crystal Nb0.05W0.95-xMox(Se1–xSx)2

Polarization-sensitive near-infrared photodetectors based on quasi-one-dimensional Sb2Se3 nanotubes

Contact Info

Product

Resources

About

DFT Study of the Cooperative Promotion of MgO and ZnO on CaCO₃/CaO Thermochemical Heat Storage Performance of CaO

DFT Study of the Cooperative Promotion of MgO and ZnO on CaCO₃/CaO Thermochemical Heat Storage Performance of CaO

Low Thermal Conductivity and High Thermoelectric Performance of Nb-Doped Quarternary Mixed Crystal Nb_0.05W_0.95-xMo_x(Se_1–xS_x)₂